N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline

C21H31NSi — CID 139101790

IUPACN-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline
SMILESCC(C)c1cccc(C(C)C)c1N(C=C1C=CC=C1)[Si](C)(C)C
InChIInChI=1S/C21H31NSi/c1-16(2)19-13-10-14-20(17(3)4)21(19)22(23(5,6)7)15-18-11-8-9-12-18/h8-17H,1-7H3
InChIKeyRCKQDHSYTDRYSA-UHFFFAOYSA-N
MW325.57 g/mol
LogP6.58
Rot. Bonds5

About N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline

N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline (PubChem CID 139101790) has the molecular formula C21H31NSi and a molecular weight of 325.57 g/mol. Its IUPAC name is N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline.

Molecular Properties

Compound NameN-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline
PubChem CID139101790
Molecular FormulaC21H31NSi
Molecular Weight325.57 g/mol
Exact Mass325.22
IUPAC NameN-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline
SMILESCC(C)c1cccc(C(C)C)c1N(C=C1C=CC=C1)[Si](C)(C)C
InChIInChI=1S/C21H31NSi/c1-16(2)19-13-10-14-20(17(3)4)21(19)22(23(5,6)7)15-18-11-8-9-12-18/h8-17H,1-7H3
InChIKeyRCKQDHSYTDRYSA-UHFFFAOYSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline with MolForge

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251744
CID 136753152
CID 136753152
(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
CID 90429610
2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline
CID 177439563
2,6-di(propan-2-yl)-N-trimethoxysilyl-N-trimethylsilylaniline
CID 155643183
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline
CID 118933000
N,N'-bis[2,6-di(propan-2-yl)phenyl]-N'-iodo-N-methylethane-1,2-diamine
CID 174179094
2,6-di(propan-2-yl)-N-trimethylsilylbenzamide
CID 22743375
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
CID 136741886
CID 136741886
[2,6-di(propan-2-yl)phenyl]-trimethylsilylazanide;tin(2+);chloride
CID 122387275

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline?
The IUPAC name of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline (CID 139101790) is N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline.
What is the SMILES notation for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline?
The canonical SMILES for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline is CC(C)c1cccc(C(C)C)c1N(C=C1C=CC=C1)[Si](C)(C)C.
What is the InChIKey of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline?
The InChIKey is RCKQDHSYTDRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NSi/c1-16(2)19-13-10-14-20(17(3)4)21(19)22(23(5,6)7)15-18-11-8-9-12-18/h8-17H,1-7H3.
What are the key properties of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline?
N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline has a molecular weight of 325.57 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-di(propan-2-yl)-N-trimethylsilylaniline is sourced from PubChem (CID 139101790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).